3-[(2-fluoranyl-3-methyl-phenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(2-fluoranyl-3-methyl-phenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-3-methyl-phenyl)methoxy]-5-(3-morpholinopropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-3-methylphenyl)methoxy]-5-[[[3-(4-morpholinyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-3-methylphenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-3-methyl-benzyl)oxy-5-(3-morpholinopropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C20H25FN4O5S MolecularWeight: 452.499703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3CCOCC3)F

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3CCOCC3)F

InChI

InChI=1S/C20H25FN4O5S/c1-13-4-2-5-14(16(13)21)12-30-17-15(19(26)27)18(31-24-17)23-20(28)22-6-3-7-25-8-10-29-11-9-25/h2,4-5H,3,6-12H2,1H3,(H,26,27)(H2,22,23,28)